SCHEMBL7058047

SCHEMBL7058047

COc1cc(Br)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 4/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
RBP4 P02753 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.45
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
NPY2R P49146 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14852278 0.84 BACE1 (0.55) ALDH1A1MAPTRBP4LMNA
SCHEMBL28094402 0.83 ALDH1A1 (0.49) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL15774983 0.81 HTT (0.52) ALDH1A1POLBMAPTRBP4MEN1
SCHEMBL2799605 0.80 DRD2 (0.60) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL3904994 0.79 KMT2A (0.68) ALDH1A1POLBMEN1KMT2AAKR1C3
SCHEMBL20899604 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19212228 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBMAPTRBP4
SCHEMBL28840342 0.78 POLB (0.42) ALDH1A1KDM4EPOLBMAPTRBP4
SCHEMBL8187608 0.78 TACR3 (0.51) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL766289 0.77 RBP4 (0.74) ALDH1A1KDM4EMAPTRBP4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2003028728-A1 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4200/4885KDM4E 454/4885POLB 3881/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885KDM4E 527/4885POLB 3783/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN ALDH1A1 4181/4885KDM4E 527/4885POLB 3783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.